Comparison of the TIP4P-2005, SWM4-DP and BK3 interaction potentials of liquid water with respect to their consistency with neutron and X-ray diffraction data of pure water
Following a fairly comprehensive study on popular interaction potentials of water (Pusztai et al 2008, J. Chem. Phys., 129, 184103), here two more recent, polarizable potential sets, SWM4-DP (Lamoureux et al., Chem. Phys. Lett., 2006, 418, 245) and BK3 (Kiss et al. J. Chem. Phys., 2013, 138, 204507)...
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| Datum: | 2013 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
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Інститут фізики конденсованих систем НАН України
2013
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/120855 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Comparison of the TIP4P-2005, SWM4-DP and BK3 interaction potentials of liquid water with respect to their consistency with neutron and X-ray diffraction data of pure water / Z. Steinczinger, L. Pusztai // Condensed Matter Physics. — 2013. — Т. 16, № 4. — С. 43604:1-8. — Бібліогр.: 24 назв. — англ. |